1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea

C17H12Cl2N2OS — CID 155436589

IUPAC1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H12Cl2N2OS/c18-11-5-7-12(8-6-11)20-17(22)21-16-10-9-15(23-16)13-3-1-2-4-14(13)19/h1-10H,(H2,20,21,22)
InChIKeyIWZSXNAYGNWSMQ-UHFFFAOYSA-N
MW363.27 g/mol
LogP6.37
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea

1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea (PubChem CID 155436589) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea
PubChem CID155436589
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H12Cl2N2OS/c18-11-5-7-12(8-6-11)20-17(22)21-16-10-9-15(23-16)13-3-1-2-4-14(13)19/h1-10H,(H2,20,21,22)
InChIKeyIWZSXNAYGNWSMQ-UHFFFAOYSA-N
XLogP6.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea (CID 155436589) is 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea?
The InChIKey is IWZSXNAYGNWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-11-5-7-12(8-6-11)20-17(22)21-16-10-9-15(23-16)13-3-1-2-4-14(13)19/h1-10H,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea has a molecular weight of 363.27 g/mol, XLogP of 6.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).